N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine

C41H35NSi — CID 176605592

IUPACN-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C41H35NSi/c1-41(2)35-17-10-8-16-34(35)40-36(41)18-12-19-37(40)42(30-23-21-29(22-24-30)28-13-6-5-7-14-28)31-25-26-33-32-15-9-11-20-38(32)43(3,4)39(33)27-31/h5-27H,1-4H3
InChIKeyKTGJMJQLZLILOD-UHFFFAOYSA-N
MW569.82 g/mol
LogP9.93
Rot. Bonds4

About N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine

N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine (PubChem CID 176605592) has the molecular formula C41H35NSi and a molecular weight of 569.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
PubChem CID176605592
Molecular FormulaC41H35NSi
Molecular Weight569.82 g/mol
Exact Mass569.25
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C41H35NSi/c1-41(2)35-17-10-8-16-34(35)40-36(41)18-12-19-37(40)42(30-23-21-29(22-24-30)28-13-6-5-7-14-28)31-25-26-33-32-15-9-11-20-38(32)43(3,4)39(33)27-31/h5-27H,1-4H3
InChIKeyKTGJMJQLZLILOD-UHFFFAOYSA-N
XLogP9.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.82
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-8-phenyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504528
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)-5,5-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
CID 162504651
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
CID 138461967
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
N-[3-(3-fluoranthen-8-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499112
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197127

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine (CID 176605592) is N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
The InChIKey is KTGJMJQLZLILOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35NSi/c1-41(2)35-17-10-8-16-34(35)40-36(41)18-12-19-37(40)42(30-23-21-29(22-24-30)28-13-6-5-7-14-28)31-25-26-33-32-15-9-11-20-38(32)43(3,4)39(33)27-31/h5-27H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine has a molecular weight of 569.82 g/mol, XLogP of 9.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 176605592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).